-ISIS-  08091621332D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.3000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <ID> (BBL000518)
BBL000518

>  <Rotatable_Bonds> (BBL000518)
4

>  <logP> (BBL000518)
0.167

>  <PSA> (BBL000518)
66.4

>  <H_Donors> (BBL000518)
2

>  <H_Acceptors> (BBL000518)
3

>  <Number_of_rings> (BBL000518)
0

>  <NAME> (BBL000518)
(butan-2-ylamino)(oxo)acetic acid

>  <Mol_Weight> (BBL000518)
145.16

>  <Mol_Formula> (BBL000518)
C6H11NO3

>  <Smiles> (BBL000518)
CC(NC(=O)C(=O)O)CC

>  <CAS_Number> (BBL000518)
80638-53-5

>  <Alternative_identifier> (BBL000518)
MFCD09971254

$$$$